[6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone

C23H31N5O — CID 109332039

IUPAC[6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1cccc(N2CCN(c3nc(C)cc(C(=O)N4CCCC(C)C4)n3)CC2)c1
InChIInChI=1S/C23H31N5O/c1-17-6-4-8-20(14-17)26-10-12-27(13-11-26)23-24-19(3)15-21(25-23)22(29)28-9-5-7-18(2)16-28/h4,6,8,14-15,18H,5,7,9-13,16H2,1-3H3
InChIKeyPLPUAEKEWSHEGV-UHFFFAOYSA-N
MW393.54 g/mol
LogP3.29
Rot. Bonds3

About [6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone

[6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 109332039) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is [6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID109332039
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC Name[6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1cccc(N2CCN(c3nc(C)cc(C(=O)N4CCCC(C)C4)n3)CC2)c1
InChIInChI=1S/C23H31N5O/c1-17-6-4-8-20(14-17)26-10-12-27(13-11-26)23-24-19(3)15-21(25-23)22(29)28-9-5-7-18(2)16-28/h4,6,8,14-15,18H,5,7,9-13,16H2,1-3H3
InChIKeyPLPUAEKEWSHEGV-UHFFFAOYSA-N
XLogP3.29
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone with MolForge

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Related Compounds

(3-methylpiperidin-1-yl)-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109321612
[4-(3-methylphenyl)piperazin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
CID 109322306
[6-methyl-2-(3-methylanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109334024
[6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109322434
[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109324420
[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109325914
[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109331556
[2-(diethylamino)-6-methylpyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109332044
(3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113385
1-[4-(3-methylphenyl)piperazin-1-yl]-2-(3-methylpiperidin-1-yl)ethanone
CID 109004012
[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109328238
ethyl 4-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109332006

Frequently Asked Questions

What is the IUPAC name of [6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone (CID 109332039) is [6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone is Cc1cccc(N2CCN(c3nc(C)cc(C(=O)N4CCCC(C)C4)n3)CC2)c1.
What is the InChIKey of [6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is PLPUAEKEWSHEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O/c1-17-6-4-8-20(14-17)26-10-12-27(13-11-26)23-24-19(3)15-21(25-23)22(29)28-9-5-7-18(2)16-28/h4,6,8,14-15,18H,5,7,9-13,16H2,1-3H3.
What are the key properties of [6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
[6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 393.54 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109332039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).